SCHEMBL213010

SCHEMBL213010

Nc1ccccc1NC(=O)c1ccc(CNc2cc(-c3cccnc3N)ncn2)cc1

nearest known ligand 0.74

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 19/20 0.74
HDAC2 Q92769 3/20 0.53
HDAC3 O15379 2/20 0.53
NCOR2 Q9Y618 2/20 0.53
HDAC6 Q9UBN7 2/20 0.53
NCOR1 O75376 1/20 0.53
CYP3A4 P08684 1/20 0.53
HDAC11 Q96DB2 1/20 0.53
HDAC8 Q9BY41 1/20 0.53

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL212868 0.85 HDAC1 (1.00) HDAC1HDAC2HDAC3NCOR2HDAC6
SCHEMBL1064069 0.79 HDAC1 (1.00) HDAC1HDAC2HDAC3NCOR2HDAC6
SCHEMBL3558643 0.79 HDAC1 (1.00) HDAC1HDAC2HDAC3NCOR2
SCHEMBL1064336 0.74 HDAC1 (0.76) HDAC1HDAC2HDAC3NCOR2HDAC6
SCHEMBL210568 0.74 HDAC1 (0.72) HDAC1HDAC2HDAC3NCOR2HDAC6
SCHEMBL213009 0.74 HDAC1 (0.79) HDAC1HDAC2HDAC3NCOR2HDAC6
SCHEMBL3543371 0.72 HDAC1 (0.68) HDAC1HDAC2HDAC3NCOR2
SCHEMBL212431 0.72 HDAC1 (0.76) HDAC1HDAC2HDAC3NCOR2HDAC6
SCHEMBL210777 0.71 HDAC1 (0.80) HDAC1HDAC2HDAC3NCOR2HDAC6
SCHEMBL213539 0.71 HDAC1 (0.66) HDAC1HDAC2HDAC3NCOR2HDAC6

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8088805-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2012-01-03 US disclosed
US-20070213330-A1 Anticancer agents; antiproliferative agents METHYLGENE INC. (CA) 2007-09-13 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20070213330-A1 Anticancer agents; antiproliferative agents HDAC1, HDAC11, HDAC5 HDAC1 1/4885HDAC2 10/4885HDAC3 4/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.